Computational Chemistry: An Introduction to Numerical Methods - Softcover

Inhaltsangabe

A practical introduction to numerical methods that shows how to formulate a chemical problem in mathematical terms and select a numerical method to solve it. Introduces more powerful program sources such as the Numerical Algorithms Group (NAG) library, Contains worked examples and a wide range of problems varying in length and complexity, many of which require computer solutions using existing FORTRAN programs or subroutines listed in the appendixes.

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